CID 6450579

3-o-chlorobenzoyl-5-(3'-methylbenzylidene)-2-thiohydantoin

Structural Information

Molecular Formula
C18H13ClN2O2S
SMILES
CC1=CC(=CC=C1)/C=C\2/C(=O)N(C(=S)N2)C(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H13ClN2O2S/c1-11-5-4-6-12(9-11)10-15-17(23)21(18(24)20-15)16(22)13-7-2-3-8-14(13)19/h2-10H,1H3,(H,20,24)/b15-10-
InChIKey
MLOGCAGUUUWNNQ-GDNBJRDFSA-N
Compound name
(5Z)-3-(2-chlorobenzoyl)-5-[(3-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.03864 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.04592 182.8
[M+Na]+ 379.02786 197.0
[M+NH4]+ 374.07246 189.8
[M+K]+ 395.00180 188.9
[M-H]- 355.03136 186.5
[M+Na-2H]- 377.01331 189.0
[M]+ 356.03809 186.5
[M]- 356.03919 186.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.